SCHEMBL11615174

SCHEMBL11615174

[CH2]CCC(F)(F)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ ACP3 P15309 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MAOB P27338 4/20 0.49
▸ HTR2A P28223 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ MIF P14174 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11616015 0.83 IDO1 (0.50) IDO1ACP3TAAR1MAOBHTR2A
SCHEMBL11613291 0.81 IDO1 (0.46) IDO1TAAR1MAOBMIFALDH1A1
SCHEMBL11615168 0.79 CYP3A4 (0.44) IDO1TAAR1MAOBSIGMAR1
SCHEMBL1046631 0.78 TAAR1 (0.67) IDO1ACP3TAAR1MAOBHTR2A
SCHEMBL11616227 0.78 TAAR1 (0.44) IDO1TAAR1MAOBMIFKDM4E
SCHEMBL11616310 0.77 SLC6A2 (0.40) IDO1TAAR1MAOBTSHRALDH1A1
SCHEMBL5272253 0.77 TAAR1 (0.60) IDO1ACP3TAAR1MAOBHTR2A
SCHEMBL128465 0.77 TAAR1 (0.60) IDO1ACP3TAAR1MAOBHTR2A
SCHEMBL1046263 0.75 TAAR1 (0.62) IDO1ACP3TAAR1MAOBHTR2A
SCHEMBL11514353 0.75 ACP3 (0.49) IDO1ACP3TAAR1MAOBHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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